SCHEMBL21669876

SCHEMBL21669876

CCOc1ccc(CC(NC(=O)c2ccc(F)c(F)c2)C(=O)NC(Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 1.00
▸ KLK1 P06870 4/20 0.70

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14485692 1.00 KLKB1 (1.00) KLKB1KLK1
SCHEMBL21669879 0.93 KLKB1 (0.87) KLKB1KLK1
SCHEMBL14555002 0.93 KLKB1 (0.87) KLKB1KLK1
Hydrochloric Acid SCHEMBL15901158 0.92 KLKB1 (0.86) KLKB1KLK1
SCHEMBL14485834 0.91 KLKB1 (0.86) KLKB1KLK1
SCHEMBL17268027 0.90 KLKB1 (0.81) KLKB1KLK1
SCHEMBL23517198 0.89 KLKB1 (0.91) KLKB1KLK1
SCHEMBL21699873 0.89 KLKB1 (0.91) KLKB1KLK1
SCHEMBL17268102 0.89 KLKB1 (0.91) KLKB1KLK1
SCHEMBL14555079 0.89 KLKB1 (0.91) KLKB1KLK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729443-B3 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2020-02-12 — — EP disclosed
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